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3 min. Research Talk: Identifying the Dimensionality of Crystal Structures
Online Presentations | 12 Feb 2020 | Contributor(s):: Franco Vera
Today, researchers worldwide have identified over 100,000 distinct bulk materials. The underlying dimensionality of these materials is not always clear however, and as such researchers have sought to identify stable, lower dimensional materials derived from the bulk parent structures. A team of...
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Random and Special Quasirandom Structure Generator
Tools | 01 Oct 2019 | Contributor(s):: Shivam Tripathi, Rileigh Anne Cotter, Sabir Utamsing, MD MAHBUBUL ISLAM, Mohsen B Kivy, Alejandro Strachan
Generate a Random and Special Quasi-random Structures using ATAT for FCC and BCC alloy systems
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Data Science and Machine Learning for MSE Students: introduction and Hands-on Activities
Teaching Materials | 10 Sep 2019 | Contributor(s):: Alejandro Strachan, Juan Carlos Verduzco Gastelum, Saaketh Desai
This document introduces basic concepts of data science and machine learning in the context of materials science applications. The focus is on hands-on activities where readers use open, online tools in nanoHUB to explore the concepts being introduced. Topics covered include querying data...
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Martensitic Transformations with Molecular Dynamics
Teaching Materials | 21 Feb 2019 | Contributor(s):: Sam Reeve, Alejandro Strachan
In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of martensitic transformations and analyze the results in order to: Describe the atomistic process of martensitic, solid-solid phase transitions Compare different martensitic alloys,...
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MSEN 201 Lecture 4.1: Crystal Structures of Metals - Atomic Densities and Packing Factors
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 4.2: Crystal Structures of Metals - FCC Structure
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 5.1: Crystal Structures of Ceramics - Ionic Crystal Structures
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 5.2: Crystal Structures of Ceramics - Interstitial Sites
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 3.1: Crystalline Solids - Single Crystal, Polycrystalline, Amorphous
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 3.2: Crystalline Solids - Crystallographic Points
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 3.3: Crystalline Solids - Crystallographic Directions
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 3.4: Crystalline Solids - Crystallographic Planes
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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MSEN 201 Lecture 3.5: Crystalline Solids - Families of Directions, Planes
Online Presentations | 13 Feb 2019 | Contributor(s):: Patrick J Shamberger
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Unit Cells and Crystal Structures
Teaching Materials | 27 Aug 2018 | Contributor(s):: Kristi Jean, Deb Newberry (editor), James Marti (editor), Nano Link
In this module students create a saturated solutions using Borax and sodium acetate. Upon drying, each crystal will have a different shape. The shape at the macro level is driven by the arrangement of atoms. This repeating arrangement of atoms – which defines a crystal structure –...
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High Pressure DFT Data
Tools | 20 Feb 2018 | Contributor(s):: Austin Zadoks, Sam Reeve, Karthik Guda Vishnu, Alejandro Strachan
Query and retrieve elastic constants and phase stability data from high-pressure DFT calculations
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AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation
Downloads | 08 Jan 2018 | Contributor(s):: Ali Sangghaleh, Michael J. Demkowicz
We present a tool called Arrangement of Interface Dislocation Arrays (AIDA) for enumerating all dislocation networks that satisfy the quantized Frank-Bilby equation for any interface between cubic crystals with a single-atom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of...
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MSE educational tool: crystal structures, reciprocal lattice & symmetry
Tools | 04 Jan 2018 | Contributor(s):: Nolan Andrew Miller, Peilin Liao
Educational notebooks for studying crystal structures
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MSE educational tool: visualization of stacking faults
Tools | 28 Nov 2017 | Contributor(s):: Peilin Liao
Visualize stacking faults in FCC and BCC crystals
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MSE educational tool: crystal structure and lattice plane visualization with Jmol
Tools | 18 Sep 2017 | Contributor(s):: Peilin Liao
Visualize crystal structure and lattice plane with Jmol
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MSE educational tool: X-ray diffraction (XRD) pattern
Tools | 01 Sep 2017 | Contributor(s):: Peilin Liao
XRD pattern for BCC and FCC metals